| SpectraBase Spectrum ID |
2t12zUlWIEL |
| Name |
1-(Benzo[D][1,3]dioxol-5-yl)-2-(2-methylpiperidin-1-yl)propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-11-5-3-4-8-17(11)12(2)16(18)13-6-7-14-15(9-13)20-10-19-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3 |
| InChIKey |
PSBUWWUIPNCQFB-UHFFFAOYSA-N |
| Molecular Weight |
275.348 g/mol |
| SMILES |
C12=C(C=CC(=C2)C(C(N2CCCCC2C)C)=O)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863913 |
![1-(Benzo[D][1,3]dioxol-5-yl)-2-(2-methylpiperidin-1-yl)propan-1-one](/api/spectrum/2t12zUlWIEL/structure.png?h=300&w=458 "1-(Benzo[D][1,3]dioxol-5-yl)-2-(2-methylpiperidin-1-yl)propan-1-one")
